2-(4,4-diethyl-2-oxidanylidene-1,4-diazepan-4-ium-1-yl)-N-(3,3-diphenylpropyl)ethanamide chloride

Systemtic Name: 2-(4,4-diethyl-2-oxidanylidene-1,4-diazepan-4-ium-1-yl)-N-(3,3-diphenylpropyl)ethanamide chloride Openeye Name: 2-(4,4-diethyl-2-oxo-1,4-diazepan-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride CAS Name: 2-(4,4-diethyl-2-oxo-1,4-diazepan-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride IUPAC Name: 2-(4,4-diethyl-2-oxo-1,4-diazepan-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride Traditional Name: 2-(4,4-diethyl-2-keto-1,4-diazepan-4-ium-1-yl)-N-(3,3-diphenylpropyl)acetamide chloride Formula: C26H36ClN3O2 MolecularWeight: 458.03594

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCCN(C(=O)C1)CC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)CC.[Cl-]

Isomeric SMILES

CC[N+]1(CCCN(C(=O)C1)CC(=O)NCCC(C2=CC=CC=C2)C3=CC=CC=C3)CC.[Cl-]

InChI

InChI=1S/C26H35N3O2.ClH/c1-3-29(4-2)19-11-18-28(26(31)21-29)20-25(30)27-17-16-24(22-12-7-5-8-13-22)23-14-9-6-10-15-23;/h5-10,12-15,24H,3-4,11,16-21H2,1-2H3;1H